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	hartrees
Energy at 0K	-337.420169
Energy at 298.15K	-337.422682
HF Energy	-336.769133
Nuclear repulsion energy	132.879138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	3045	47.88
2	A₁	1172	1116	108.11
3	A₁	704	671	15.08
4	E	1461	1392	92.97
4	E	1461	1392	92.97
5	E	1227	1168	229.10
5	E	1227	1168	229.10
6	E	505	481	3.90
6	E	505	481	3.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.342
H2	0.000	0.000	1.434
F3	0.000	1.257	-0.129
F4	1.089	-0.629	-0.129
F5	-1.089	-0.629	-0.129

	C1	H2	F3	F4	F5
C1		1.0913	1.3428	1.3428	1.3428
H2	1.0913		2.0059	2.0059	2.0059
F3	1.3428	2.0059		2.1775	2.1775
F4	1.3428	2.0059	2.1775		2.1775
F5	1.3428	2.0059	2.1775	2.1775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.566	H2	C1	F4	110.566
H2	C1	F5	110.566	F3	C1	F4	108.355
F3	C1	F5	108.355	F4	C1	F5	108.355

All results from a given calculation for CHF₃ (Methane, trifluoro-)

using model chemistry: QCISD/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CHF3 (Methane, trifluoro-)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for CHF₃ (Methane, trifluoro-)